General Information of the Compound
| Compound ID |
CP0408064
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| Compound Name |
5-Chloro-N-[1-(2,3-dihydro-benzofuran-5-ylmethyl)-piperidin-4-yl]-2-isopropylamino-nicotinamide
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| Structure |
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| Formula |
C23H29ClN4O2
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| Molecular Weight |
428.964
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| Canonical SMILES |
CC(C)Nc1ncc(Cl)cc1C(=O)NC1CCN(Cc2ccc3OCCc3c2)CC1
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| InChI |
InChI=1S/C23H29ClN4O2/c1-15(2)26-22-20(12-18(24)13-25-22)23(29)27-19-5-8-28(9-6-19)14-16-3-4-21-17(11-16)7-10-30-21/h3-4,11-13,15,19H,5-10,14H2,1-2H3,(H,25,26)(H,27,29)
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| InChIKey |
TTZCVNUVZDAQGO-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound